ChemSpider 2D Image | (3beta,7beta,9xi)-3,7-Dihydroxycholesta-5,24-dien-19-yl acetate | C29H46O4

(3β,7β,9ξ)-3,7-Dihydroxycholesta-5,24-dien-19-yl acetate

  • Molecular FormulaC29H46O4
  • Average mass458.673 Da
  • Monoisotopic mass458.339600 Da
  • ChemSpider ID57641767
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,7β,9ξ)-3,7-Dihydroxycholesta-5,24-dien-19-yl acetate [ACD/IUPAC Name]
(3β,7β,9ξ)-3,7-Dihydroxycholesta-5,24-dien-19-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,7β,9ξ)-3,7-dihydroxycholesta-5,24-dién-19-yle [French] [ACD/IUPAC Name]
Cholesta-5,24-diene-3,7,19-triol, 19-acetate, (3β,7β,9ξ)- [ACD/Index Name]
Cholest-5,24-diene-3[β], 7[β], 19-triol 19-acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 565.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 176.4±19.4 °C
Index of Refraction: 1.547
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33303.66
ACD/KOC (pH 5.5): 60087.45
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33303.66
ACD/KOC (pH 7.4): 60087.45
Polar Surface Area: 67 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

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